Domiodol

This drug entry is a stub and has not been fully annotated. It is scheduled to be annotated soon.

Identification

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Name
Domiodol
Accession Number
DB13768
Type
Small Molecule
Groups
Experimental
Description
Not Available
Structure
Thumb
Synonyms
Not Available
Categories
UNII
C1PXF8V06N
CAS number
61869-07-6
Weight
Average: 244.028
Monoisotopic: 243.95964
Chemical Formula
C5H9IO3
InChI Key
NEIPZWZQHXCYDV-UHFFFAOYSA-N
InChI
InChI=1S/C5H9IO3/c6-1-5-8-3-4(2-7)9-5/h4-5,7H,1-3H2
IUPAC Name
[2-(iodomethyl)-1,3-dioxolan-4-yl]methanol
SMILES
OCC1COC(CI)O1

Pharmacology

Indication
Not Available
Pharmacodynamics
Not Available
Mechanism of action
Not Available
Absorption
Not Available
Volume of distribution
Not Available
Protein binding
Not Available
Metabolism
Not Available
Route of elimination
Not Available
Half life
Not Available
Clearance
Not Available
Toxicity
Not Available
Affected organisms
Not Available
Pathways
Not Available
Pharmacogenomic Effects/ADRs
Not Available

Interactions

Drug Interactions
This information should not be interpreted without the help of a healthcare provider. If you believe you are experiencing an interaction, contact a healthcare provider immediately. The absence of an interaction does not necessarily mean no interactions exist.
Not Available
Food Interactions
Not Available

References

General References
Not Available
External Links
ChemSpider
39887
ChEBI
134992
ChEMBL
CHEMBL2106471
Wikipedia
Domiodol
ATC Codes
R05CB08 — Domiodol

Clinical Trials

Clinical Trials
Not Available

Pharmacoeconomics

Manufacturers
Not Available
Packagers
Not Available
Dosage forms
Not Available
Prices
Not Available
Patents
Not Available

Properties

State
Not Available
Experimental Properties
Not Available
Predicted Properties
PropertyValueSource
Water Solubility17.3 mg/mLALOGPS
logP0.43ALOGPS
logP0.5ChemAxon
logS-1.2ALOGPS
pKa (Strongest Acidic)14.6ChemAxon
pKa (Strongest Basic)-3ChemAxon
Physiological Charge0ChemAxon
Hydrogen Acceptor Count3ChemAxon
Hydrogen Donor Count1ChemAxon
Polar Surface Area38.69 Å2ChemAxon
Rotatable Bond Count2ChemAxon
Refractivity40.63 m3·mol-1ChemAxon
Polarizability16.88 Å3ChemAxon
Number of Rings1ChemAxon
Bioavailability1ChemAxon
Rule of FiveYesChemAxon
Ghose FilterNoChemAxon
Veber's RuleYesChemAxon
MDDR-like RuleNoChemAxon
Predicted ADMET features
Not Available

Spectra

Mass Spec (NIST)
Not Available
Spectra
SpectrumSpectrum TypeSplash Key
Predicted GC-MS Spectrum - GC-MSPredicted GC-MSNot Available
Predicted MS/MS Spectrum - 10V, Positive (Annotated)Predicted LC-MS/MSNot Available
Predicted MS/MS Spectrum - 20V, Positive (Annotated)Predicted LC-MS/MSNot Available
Predicted MS/MS Spectrum - 40V, Positive (Annotated)Predicted LC-MS/MSNot Available
Predicted MS/MS Spectrum - 10V, Negative (Annotated)Predicted LC-MS/MSNot Available
Predicted MS/MS Spectrum - 20V, Negative (Annotated)Predicted LC-MS/MSNot Available
Predicted MS/MS Spectrum - 40V, Negative (Annotated)Predicted LC-MS/MSNot Available

Taxonomy

Description
This compound belongs to the class of organic compounds known as 1,3-dioxolanes. These are organic compounds containing 1,3-dioxolane, an aliphatic five-member ring with two oxygen atoms in ring positions 1 and 3.
Kingdom
Organic compounds
Super Class
Organoheterocyclic compounds
Class
Dioxolanes
Sub Class
1,3-dioxolanes
Direct Parent
1,3-dioxolanes
Alternative Parents
Oxacyclic compounds / Acetals / Primary alcohols / Organoiodides / Hydrocarbon derivatives / Alkyl iodides
Substituents
Meta-dioxolane / Oxacycle / Acetal / Organic oxygen compound / Hydrocarbon derivative / Primary alcohol / Organooxygen compound / Organoiodide / Organohalogen compound / Alkyl iodide
Molecular Framework
Aliphatic heteromonocyclic compounds
External Descriptors
Not Available

Drug created on June 23, 2017 14:48 / Updated on September 02, 2019 20:06